(6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline

C46H38N2O2 — CID 10722916

IUPAC(6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline
SMILESCCOC1=CC(c2ccccc2)(c2ccccc2)N=c2cc/c(=c3/ccc4c(c3)C(OCC)=CC(c3ccccc3)(c3ccccc3)N=4)cc21
InChIInChI=1S/C46H38N2O2/c1-3-49-43-31-45(35-17-9-5-10-18-35,36-19-11-6-12-20-36)47-41-27-25-33(29-39(41)43)34-26-28-42-40(30-34)44(50-4-2)32-46(48-42,37-21-13-7-14-22-37)38-23-15-8-16-24-38/h5-32H,3-4H2,1-2H3/b34-33+
InChIKeyVAUKELOCDWCPLX-JEIPZWNWSA-N
MW650.82 g/mol
LogP8.88
Rot. Bonds8

About (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline

(6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline (PubChem CID 10722916) has the molecular formula C46H38N2O2 and a molecular weight of 650.82 g/mol. Its IUPAC name is (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline.

Molecular Properties

Compound Name(6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline
PubChem CID10722916
Molecular FormulaC46H38N2O2
Molecular Weight650.82 g/mol
Exact Mass650.29
IUPAC Name(6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline
SMILESCCOC1=CC(c2ccccc2)(c2ccccc2)N=c2cc/c(=c3/ccc4c(c3)C(OCC)=CC(c3ccccc3)(c3ccccc3)N=4)cc21
InChIInChI=1S/C46H38N2O2/c1-3-49-43-31-45(35-17-9-5-10-18-35,36-19-11-6-12-20-36)47-41-27-25-33(29-39(41)43)34-26-28-42-40(30-34)44(50-4-2)32-46(48-42,37-21-13-7-14-22-37)38-23-15-8-16-24-38/h5-32H,3-4H2,1-2H3/b34-33+
InChIKeyVAUKELOCDWCPLX-JEIPZWNWSA-N
XLogP8.88
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.82
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethoxy-2,2,3-triphenylpyrrole
CID 102457373
4-Ethoxy-2,2-diphenylquinolin-6-one
CID 10735991
3,10-Bis(4-methylphenyl)-6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),7,9,11(15)-hexaene
CID 134472849
4-Ethoxy-1-oxido-2,2-diphenylquinolin-1-ium-6-one
CID 15499942

Frequently Asked Questions

What is the IUPAC name of (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline?
The IUPAC name of (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline (CID 10722916) is (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline.
What is the SMILES notation for (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline?
The canonical SMILES for (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline is CCOC1=CC(c2ccccc2)(c2ccccc2)N=c2cc/c(=c3/ccc4c(c3)C(OCC)=CC(c3ccccc3)(c3ccccc3)N=4)cc21.
What is the InChIKey of (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline?
The InChIKey is VAUKELOCDWCPLX-JEIPZWNWSA-N. The full InChI is InChI=1S/C46H38N2O2/c1-3-49-43-31-45(35-17-9-5-10-18-35,36-19-11-6-12-20-36)47-41-27-25-33(29-39(41)43)34-26-28-42-40(30-34)44(50-4-2)32-46(48-42,37-21-13-7-14-22-37)38-23-15-8-16-24-38/h5-32H,3-4H2,1-2H3/b34-33+.
What are the key properties of (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline?
(6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline has a molecular weight of 650.82 g/mol, XLogP of 8.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline is sourced from PubChem (CID 10722916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).